Justin, thanks for your response. I am merely trying to understand whether J_NHa refers to 15N,1H or N1H_Ca1H coupling. The same goes to other J namings used ---------------------------------------- > Date: Mon, 14 Jul 2008 07:20:53 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] definition of J-couplings in g_chi > > The manual will not spell everything out for you, but a little bit of > background > reading will give you the answer. From g_chi -h: > > "... > (b) The NMR 3J coupling constants from the Karplus equation. > ..." > > The curious individual would then probably look up what the Karplus equation > is, > and via Google search, arrive here: > > http://en.wikipedia.org/wiki/Karplus_equation > > The answers are out there, and if you don't know what a term or parameter > means, > Google is usually your friend. > > -Justin > > Abil Aliev wrote: >> Hello, >> >> I couldnt find definitions of vicinal J-couplings used in g_chi from the >> online manual. These are the J-couplings listed by g_chi: >> >> J_NHa J_HaC' J_NHCb J_Ci-1Hai J_HaN JHaHb2 JHaHb3 >> >> Thank you, >> Abil >> >> _________________________________________________________________ >> Invite your Facebook friends to chat on Messenger >> http://clk.atdmt.com/UKM/go/101719649/direct/01/_______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [EMAIL PROTECTED] >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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